Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50145495'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50145495 ((2S,3R)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-3-p...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)c1cccnc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H28N2O3S/c29-21-8-11-23-24(17-21)32-26(20-5-4-12-27-18-20)25(31-23)19-6-9-22(10-7-19)30-16-15-28-13-2-1-3-14-28/h4-12,17-18,25-26,29H,1-3,13-16H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	542	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2551-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.084 BindingDB Entry DOI: 10.7270/Q27W6BM7
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